Geometry & MOs

Info

ID:	122994
PubChem CID:	50829631
Reduced:	ClON5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	462.145868
ΔH_f, kcal/mol:	41.8
Dipole, Da:	8.38
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)carbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NC3=CC(=CC=C3)Cl)N4CCCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations